1-cyclohexyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine

C18H38N2 — CID 107869689

IUPAC1-cyclohexyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
SMILESCC(C)CCN(CCC(C)C)CC(N)C1CCCCC1
InChIInChI=1S/C18H38N2/c1-15(2)10-12-20(13-11-16(3)4)14-18(19)17-8-6-5-7-9-17/h15-18H,5-14,19H2,1-4H3
InChIKeyYPRNITGYTQOQRI-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.29
Rot. Bonds9

About 1-cyclohexyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine

1-cyclohexyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine (PubChem CID 107869689) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-cyclohexyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
PubChem CID107869689
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-cyclohexyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
SMILESCC(C)CCN(CCC(C)C)CC(N)C1CCCCC1
InChIInChI=1S/C18H38N2/c1-15(2)10-12-20(13-11-16(3)4)14-18(19)17-8-6-5-7-9-17/h15-18H,5-14,19H2,1-4H3
InChIKeyYPRNITGYTQOQRI-UHFFFAOYSA-N
XLogP4.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 107869656
1-cyclooctyl-5-methylhexan-1-amine
CID 83162244
1-cyclopentyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 104745466
1-amino-1-cyclohexyl-6-methylheptan-3-ol
CID 22367824
1-cyclopentyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 113448176
N'-butan-2-yl-1-cyclopentyl-N'-methylethane-1,2-diamine
CID 104744720
1-cyclohexyl-N'-(cyclopropylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 104745492
1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine
CID 113448166
1-cyclohexyl-N'-cyclopentyl-N'-ethylethane-1,2-diamine
CID 104744777
1-cyclohexyl-3-propan-2-yloxypropan-1-amine
CID 114998646
1-cycloheptyl-2-(2-methylpropylsulfanyl)ethanamine
CID 82931214
1-cyclohexyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 104746059

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine (CID 107869689) is 1-cyclohexyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine is CC(C)CCN(CCC(C)C)CC(N)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine?
The InChIKey is YPRNITGYTQOQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-15(2)10-12-20(13-11-16(3)4)14-18(19)17-8-6-5-7-9-17/h15-18H,5-14,19H2,1-4H3.
What are the key properties of 1-cyclohexyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine?
1-cyclohexyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 107869689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).